General Information of the Compound
| Compound ID |
CP0465728
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S)-5-[2-[(2S,3R)-1-[(2S)-1-[(2S,3R)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[2-[[(3S,6S,9S,12S,21S)-3-(4-aminobutyl)-21-[N-[(2S)-1-[(2S,3S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-6-amino-1-[2-[(2S)-5-carbamimidamido-1-hydroxy-1-(2-hydroxy-2-iminoethyl)iminopentan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxyhexan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]-C-hydroxycarbonimidoyl]-2,5,8,11,15-pentahydroxy-6,9-dimethyl-1,4,7,10,16-pentazacyclohenicosa-1,4,7,10,15-pentaen-12-yl]imino]-2-hydroxyethyl]imino-4-carboxy-1-hydroxybutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1,3-dihydroxybutan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1,3-dihydroxybutan-2-yl]imino-2-hydroxyethyl]imino-4-[[2-[[(2S)-2-amino-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxyethylidene]amino]-5-hydroxypentanoic acid
Show/Hide
|
||||||||||||||||||
| Synonyms |
C[Glu23-Lys27][Gly8]GLP-1(7-37)-NH2
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C151H229N41O44
|
||||||||||||||||||
| Molecular Weight |
3322.736
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C151H229N41O44/c1-16-79(10)122(148(234)170-82(13)127(213)178-106(61-88-64-161-93-37-24-23-36-91(88)93)138(224)180-102(57-76(4)5)139(225)189-120(77(6)7)146(232)177-95(38-25-28-52-152)130(216)164-68-114(202)171-94(41-31-55-160-151(156)157)129(215)162-66-111(155)199)191-140(226)104(58-85-32-19-17-20-33-85)181-135(221)97-40-27-30-54-159-112(200)49-46-100(133(219)169-80(11)125(211)168-81(12)126(212)174-96(134(220)175-97)39-26-29-53-153)173-115(203)69-165-132(218)99(48-51-118(207)208)176-136(222)101(56-75(2)3)179-137(223)103(60-87-42-44-90(198)45-43-87)182-143(229)108(71-193)185-145(231)110(73-195)186-147(233)121(78(8)9)190-142(228)107(63-119(209)210)183-144(230)109(72-194)187-150(236)124(84(15)197)192-141(227)105(59-86-34-21-18-22-35-86)184-149(235)123(83(14)196)188-116(204)70-166-131(217)98(47-50-117(205)206)172-113(201)67-163-128(214)92(154)62-89-65-158-74-167-89/h17-24,32-37,42-45,64-65,74-84,92,94-110,120-124,161,193-198H,16,25-31,38-41,46-63,66-73,152-154H2,1-15H3,(H2,155,199)(H,158,167)(H,159,200)(H,162,215)(H,163,214)(H,164,216)(H,165,218)(H,166,217)(H,168,211)(H,169,219)(H,170,234)(H,171,202)(H,172,201)(H,173,203)(H,174,212)(H,175,220)(H,176,222)(H,177,232)(H,178,213)(H,179,223)(H,180,224)(H,181,221)(H,182,229)(H,183,230)(H,184,235)(H,185,231)(H,186,233)(H,187,236)(H,188,204)(H,189,225)(H,190,228)(H,191,226)(H,192,227)(H,205,206)(H,207,208)(H,209,210)(H4,156,157,160)/t79-,80-,81-,82-,83+,84+,92-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,120-,121-,122-,123-,124-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WPXDPFYLELBEJH-MAGRMNHLSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound